2,6-dimethyl-4-(methylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide

C14H20N4O2S — CID 107328854

IUPAC2,6-dimethyl-4-(methylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
SMILESCNc1cc(C)c(S(=O)(=O)NCc2cn[nH]c2C)c(C)c1
InChIInChI=1S/C14H20N4O2S/c1-9-5-13(15-4)6-10(2)14(9)21(19,20)17-8-12-7-16-18-11(12)3/h5-7,15,17H,8H2,1-4H3,(H,16,18)
InChIKeyHXMHTZDWSQXLHC-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.86
Rot. Bonds5

About 2,6-dimethyl-4-(methylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide

2,6-dimethyl-4-(methylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide (PubChem CID 107328854) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 2,6-dimethyl-4-(methylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-dimethyl-4-(methylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
PubChem CID107328854
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name2,6-dimethyl-4-(methylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
SMILESCNc1cc(C)c(S(=O)(=O)NCc2cn[nH]c2C)c(C)c1
InChIInChI=1S/C14H20N4O2S/c1-9-5-13(15-4)6-10(2)14(9)21(19,20)17-8-12-7-16-18-11(12)3/h5-7,15,17H,8H2,1-4H3,(H,16,18)
InChIKeyHXMHTZDWSQXLHC-UHFFFAOYSA-N
XLogP1.86
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2,6-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 61021674
3,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 61022033
2,6-dimethyl-4-(methylamino)-N-[(4-methylthiophen-3-yl)methyl]benzenesulfonamide
CID 107329045
4-methyl-3-(methylaminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 106015484
3-amino-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 61126378
3-fluoro-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 54896485
N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-3-sulfonamide
CID 54896202
2,6-dimethyl-4-(methylamino)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
CID 107328831
5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 54896671
4-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 61301349
2-fluoro-5-(methylaminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 106015063
5-(ethylaminomethyl)-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 106015104

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(methylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,6-dimethyl-4-(methylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide (CID 107328854) is 2,6-dimethyl-4-(methylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,6-dimethyl-4-(methylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,6-dimethyl-4-(methylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide is CNc1cc(C)c(S(=O)(=O)NCc2cn[nH]c2C)c(C)c1.
What is the InChIKey of 2,6-dimethyl-4-(methylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is HXMHTZDWSQXLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-9-5-13(15-4)6-10(2)14(9)21(19,20)17-8-12-7-16-18-11(12)3/h5-7,15,17H,8H2,1-4H3,(H,16,18).
What are the key properties of 2,6-dimethyl-4-(methylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide?
2,6-dimethyl-4-(methylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 308.41 g/mol, XLogP of 1.86, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(methylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 107328854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).